Xiao-Ping Zhou

Correlating encapsulated protein with its bioactivity remains challenging, particularly for bone morphogenetic protein-2 (BMP-2), where both high loading efficiency and bioactivity must be ensured. In the study, molecular dynamics (MD) simulation was applied to elucidate the encapsulation process of BMP-2 within ZIF-8 and validated its functional consequences by experimental characterization in vitro. MD simulations suggest that BMP-2 rapidly anchors to the main crystal facets ((011), (112), and (222)) of ZIF-8 through predominant coordination bonds, accounting for over 57% of the adsorption energy. This facet-specific anchoring may guide subsequent framework growth, leading to confined encapsulation of the protein within the ZIF-8 lattice with a more compact yet structurally rigid conformation. Experimentally, the as-synthesized BMP-2@ZIF-8 features intraparticle nanodomains with a radius of gyration of 22.3 ± 3.2 Å, confirming single-protein confinement, and achieved an encapsulation efficiency of approximately 89%. Upon release, BMP-2 retained its native secondary structure and exhibited significantly enhanced osteogenic differentiation of bone marrow mesenchymal stem cells compared to free BMP-2, as evidenced by elevated alkaline phosphatase activity, calcium nodule formation, and activation of the p-Smad1/5/8 signaling pathway. A “facet-anchored guided growth” pathway, distinct from classical protein-induced biomineralization, was proposed to link the protein encapsulation process with its function. This work provides insight into the fundamental gap between encapsulated protein stability and its biofunction, facilitating the rational design of therapeutic protein delivery systems.

This work reports the solvent-directed synthesis, structures, and chiroptical properties of enantiomeric Zn(II) metal–organic cages (MOCs) and coordination polymers (CPs) assembled from identical subcomponents under the same conditions. Varying the DMF/MeOH ratio selectively produces either a discrete cubic cage (1-R/S) or a chain polymer (2-R/S). Both materials exhibit blue emission, with the MOCs demonstrating higher solid-state quantum yields. MOCs 1-R/S in poly(methyl methacrylate) films exhibit clear circularly polarized luminescence (CPL) (|glum| ≈ 4.0 × 10–4), whereas CPs 2-R/S display very weak CPL signals (|glum| ≈ 1.0 × 10–5). This work highlights that the supramolecular structure determines the CPL performance of excited-state chirality.

We report three chiral metal-organic helicates (MOHs) constructed through the self-assembly of anthracene-based aldehyde precursors, chiral amino precursors with different groups ((R/S)-1-phenylethanamine, (R/S)-1-(1-naphthyl)ethylamine, or (R/S)-1-(2-naphthyl)ethylamine), and Zn²⁺ ions. These helicates exhibit a chiral Zn₂L₃ architecture, which is confirmed by mass spectrometry, NMR spectroscopy, and theoretical calculations. Our work indicates that the conjugated extension and spatial arrangement of subcomponents can enhance the exciton coupling effect, thereby increasing the absorption asymmetry factor (g_abs) and optimizing the chiroptical properties of MOHs. Compared with free ligands, the g_abs values can be enhanced by up to 48-fold. This work provides valuable insights for designing tunable materials with tailored highly active chiroptical properties.

Self-assembly of Cu( i ) complexes via enantiomeric helical stacking produces homochiral triple-helical aggregates, enabling a record high luminescence dissymmetry factor (| g _lum | > 1 × 10 ⁻² ) for coinage metal complexes in the red-NIR region.

Porous liquids (PLs) are a unique class of materials that combine intrinsic permanent porosity with fluidity, yet their synthesis remains challenging due to cost, sustainability, and scalability. In this work, two poly(ethylene glycol)‐functionalized rhombic dodecahedral tetradecanuclear metal‐imidazolate cages (denoted as 1 and 2) are reported, modified with diethylene glycol (PEG ₂ ) and triethylene glycol (PEG ₃ ) chains, respectively. Both cages are liquids at room temperature and are obtained via subcomponent self‐assembly of 4‐methyl‐5‐imidazolecarboxaldehyde, Ni ²⁺ , and NH ₂ ‐PEG ₂ or NH ₂ ‐PEG ₃ . Both ionic PLs demonstrate higher nitric oxide (NO) adsorption capacities than their solid‐state counterparts, with 1 showing the highest performance, capturing approximately eight NO molecules per cage. Upon aqueous stimulation, the cages rapidly release NO, effectively killing Escherichia coli and Staphylococcus aureus . To achieve sustained NO release, cage 1 is incorporated into a sodium alginate (SA) hydrogel composite ( 1 @SA), which exhibits prolonged antibacterial activity while promoting angiogenesis and modulating inflammation in vitro. NO‐loaded hydrogel films (NO@ 1 @SA) are fabricated, demonstrating accelerated burn wound healing through slow NO release, which enhances angiogenesis while providing anti‐inflammatory and antibacterial effects. This work not only demonstrates the high potential of metal‐imidazolate cage‐based PLs as exogenous NO delivery platforms but also paves the way for biomedical applications of porous liquids.